SCHEMBL803668

SCHEMBL803668

CC(C)(C)CC1CCN(Cc2ncccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.40
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CCR3 P51677 1/20 0.37
ACHE P22303 4/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
ACKR3 P25106 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL803093 0.90 CHRM4 (0.39) CHRM4KDM4ESMN1; SMN2ACHEDRD2
SCHEMBL803088 0.81 KDM4E (0.59) KDM4ESMN1; SMN2ACHEDRD4L3MBTL1
SCHEMBL17828162 0.79 ACHE (0.55) ACHEDRD2DRD4DRD3NPC1
SCHEMBL18713078 0.75 LMNA (0.36) CHRM4SMN1; SMN2ACKR3L3MBTL1MEN1
SCHEMBL803087 0.75 ACHE (0.49) KDM4ECCR3ACHEMEN1KMT2A
SCHEMBL803404 0.75 PDE2A (0.34) DRD2DRD3
SCHEMBL803082 0.75 SCN9A (0.40) CHRM4KDM4ESMN1; SMN2ACKR3L3MBTL1
SCHEMBL803462 0.75 CCR3 (0.67) CCR3ACHEDRD2DRD4DRD3
SCHEMBL803399 0.74 KDM4E (0.40) KDM4ESMN1; SMN2ACHEL3MBTL1
SCHEMBL803669 0.74 CHRNB2 (0.60) CHRM4KDM4EACHEKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CHRM4 469/4885KDM4E 2727/4885SMN1; SMN2 2971/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.